[Pw_forum] second call: A problem in calculating x phonons

Abdullah N. Albarakati anbarakati at uqu.edu.sa
Fri Sep 30 03:09:00 CEST 2016


Dear experts,

I want to calculate x photons as described below:

first run scf calculation, then a nscf calculation, then a ph.x run for a while and then stopped.

the output is below:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine set_irr_sym_new (5722):
     wrong representation
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

what should I do?

thank you in advance,

Abdullah

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